Summary

IMPPAT Phytochemical identifier: IMPHY006874

Phytochemical name: Linderalactone

Synonymous chemical names:
linderalactone

External chemical identifiers:
CID:6450191, ChEMBL:CHEMBL1080239, ChEBI:69074, ZINC:ZINC000013532008, MolPort-005-945-802

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Chemical structure information

SMILES:
C/C/1=CCCC2=C[C@H](c3c(C1)occ3C)OC2=O

InChI:
InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/b9-4+/t13-/m1/s1

InChIKey:
LWCKQMHMTSRRAA-QGQQYVBWSA-N

DeepSMILES:
C/C=CCCC=C[C@H]ccC%10)occ5C))))))OC5=O

Functional groups:
C/C=C(/C)C, CC1=CCOC1=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2C=C1CCC=CCc1occc12

Scaffold Graph/Node level:
OC1OC2CC1CCCCCC1OCCC12

Scaffold Graph level:
CC1CC2CC1CCCCCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.01

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Chemical structure download